Chemistry:Vepdegestrant

Vepdegestrant
Legal status
Legal status	Investigational;
Identifiers
	IUPAC name (3S)-3-[6-[4-[[1-[4-[(1R,2S)-6-Hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;
CAS Number	2229711-68-4;
PubChem CID	134562533;
ChemSpider	114935295;
UNII	WC1U3R1YMI;
ChEMBL	ChEMBL5095210;
Chemical and physical data
Formula	C45H49N5O4
Molar mass	723.918 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)[C@H]9CCC(=O)NC9=O;
	InChI InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41+,43+/m1/s1; Key:TZZDVPMABRWKIZ-XMOGEVODSA-N;

Short description: Chemical compound

Vepdegestrant is an experimental estrogen receptor degrader that works via proteolysis targeting chimera. It is developed for advanced estrogen receptor positive breast cancer.^[1]^[2]

References

↑ Iwata, H.; Naito, Y.; Hattori, M.; Yoshimura, A.; Yonemori, K.; Aizawa, M.; Mori, Y.; Yoshimitsu, J. et al. (November 2023). "58P Safety and pharmacokinetics (PK) of vepdegestrant in Japanese patients with estrogen receptor (ER)+/human epidermal growth factor receptor 2 (HER2)- advanced breast cancer: Results from a Japanese phase I study". Annals of Oncology 34: S1488–S1489. doi:10.1016/j.annonc.2023.10.193.
↑ Iwata, H.; Hamilton, E.P.; Ma, C.X.; De Laurentiis, M.; Hurvitz, S.A.; Wander, S.A.; Danso, M.A.; Lu, D.R. et al. (November 2023). "73TiP Global phase III studies evaluating vepdegestrant in estrogen receptor (ER)+/human epidermal growth factor receptor 2 (HER2)- advanced breast cancer: VERITAC-2 and VERITAC-3". Annals of Oncology 34: S1493. doi:10.1016/j.annonc.2023.10.207.

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Original source: https://en.wikipedia.org/wiki/Vepdegestrant. Read more

Legal status

Legal status	Investigational
Identifiers
IUPAC name (3S)-3-[6-[4-[[1-[4-[(1R,2S)-6-Hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CAS Number	2229711-68-4
PubChem CID	134562533
ChemSpider	114935295
UNII	WC1U3R1YMI
ChEMBL	ChEMBL5095210
Chemical and physical data
Formula	C₄₅H₄₉N₅O₄
Molar mass	723.918 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)[C@H]9CCC(=O)NC9=O
InChI InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41+,43+/m1/s1 Key:TZZDVPMABRWKIZ-XMOGEVODSA-N